Geometry & MOs

Info

ID:	160694
PubChem CID:	57389457
Reduced:	O2F3N4C17H23 (1)
Stoich.:	A2B3C4D17E23 (1)
Weight, g/mol:	460.182316
ΔH_f, kcal/mol:	-229.82
Dipole, Da:	5.16
IP(EA), eV:	-8.97(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,6R)-3-(6,7-difluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octan-8-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone

Drug info:

PubChemData

Smile

C[C@]1(CN2C(=O)C=C(N=C2N1C3CCCC3)N4CCOCC4)C(F)(F)F

DOS

IR

Vibrations